(3S)-3-[(5-ethyl-1-pentan-3-ylpyrazol-4-yl)amino]-1-methylpyrrolidin-2-one

C15H26N4O — CID 164637732

IUPAC(3S)-3-[(5-ethyl-1-pentan-3-ylpyrazol-4-yl)amino]-1-methylpyrrolidin-2-one
SMILESCCc1c(N[C@H]2CCN(C)C2=O)cnn1C(CC)CC
InChIInChI=1S/C15H26N4O/c1-5-11(6-2)19-14(7-3)13(10-16-19)17-12-8-9-18(4)15(12)20/h10-12,17H,5-9H2,1-4H3/t12-/m0/s1
InChIKeyVHNUKFMBWRVQJR-LBPRGKRZSA-N
MW278.40 g/mol
LogP2.45
Rot. Bonds6

About (3S)-3-[(5-ethyl-1-pentan-3-ylpyrazol-4-yl)amino]-1-methylpyrrolidin-2-one

(3S)-3-[(5-ethyl-1-pentan-3-ylpyrazol-4-yl)amino]-1-methylpyrrolidin-2-one (PubChem CID 164637732) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is (3S)-3-[(5-ethyl-1-pentan-3-ylpyrazol-4-yl)amino]-1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name(3S)-3-[(5-ethyl-1-pentan-3-ylpyrazol-4-yl)amino]-1-methylpyrrolidin-2-one
PubChem CID164637732
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name(3S)-3-[(5-ethyl-1-pentan-3-ylpyrazol-4-yl)amino]-1-methylpyrrolidin-2-one
SMILESCCc1c(N[C@H]2CCN(C)C2=O)cnn1C(CC)CC
InChIInChI=1S/C15H26N4O/c1-5-11(6-2)19-14(7-3)13(10-16-19)17-12-8-9-18(4)15(12)20/h10-12,17H,5-9H2,1-4H3/t12-/m0/s1
InChIKeyVHNUKFMBWRVQJR-LBPRGKRZSA-N
XLogP2.45
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3S)-3-[(5-ethyl-1-pentan-3-ylpyrazol-4-yl)amino]-1-methylpyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[(5-ethyl-1-pentan-3-ylpyrazol-4-yl)amino]-1-methylpyrrolidin-2-one?
The IUPAC name of (3S)-3-[(5-ethyl-1-pentan-3-ylpyrazol-4-yl)amino]-1-methylpyrrolidin-2-one (CID 164637732) is (3S)-3-[(5-ethyl-1-pentan-3-ylpyrazol-4-yl)amino]-1-methylpyrrolidin-2-one.
What is the SMILES notation for (3S)-3-[(5-ethyl-1-pentan-3-ylpyrazol-4-yl)amino]-1-methylpyrrolidin-2-one?
The canonical SMILES for (3S)-3-[(5-ethyl-1-pentan-3-ylpyrazol-4-yl)amino]-1-methylpyrrolidin-2-one is CCc1c(N[C@H]2CCN(C)C2=O)cnn1C(CC)CC.
What is the InChIKey of (3S)-3-[(5-ethyl-1-pentan-3-ylpyrazol-4-yl)amino]-1-methylpyrrolidin-2-one?
The InChIKey is VHNUKFMBWRVQJR-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H26N4O/c1-5-11(6-2)19-14(7-3)13(10-16-19)17-12-8-9-18(4)15(12)20/h10-12,17H,5-9H2,1-4H3/t12-/m0/s1.
What are the key properties of (3S)-3-[(5-ethyl-1-pentan-3-ylpyrazol-4-yl)amino]-1-methylpyrrolidin-2-one?
(3S)-3-[(5-ethyl-1-pentan-3-ylpyrazol-4-yl)amino]-1-methylpyrrolidin-2-one has a molecular weight of 278.40 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[(5-ethyl-1-pentan-3-ylpyrazol-4-yl)amino]-1-methylpyrrolidin-2-one is sourced from PubChem (CID 164637732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).